Methyl 4-bromo-5-cyano-3-methyl-2-thiophenecarboxylate

Basic Information

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CAS Number

648412-55-9

Molecular Formula

C8H6BrNO2S

Molecular Weight

260.11 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

SMILES

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CC1=C(SC(=C1Br)C#N)C(=O)OC

InChI

InChI=1S/C8H6BrNO2S/c1-4-6(9)5(3-10)13-7(4)8(11)12-2/h1-2H3

InChIKey

XIGOSUBHDNBPFI-UHFFFAOYSA-N

LogP

2.47728

Complexity

262

Synonyms & References

English

SCHEMBL3880298
MFCD19703224
DS-14017
DTXSID00735300
CS-0153621
A867814
648412-55-9
AKOS015998779
Methyl 4-bromo-5-cyano-3-methylthiophene-2-carboxylate
XIGOSUBHDNBPFI-UHFFFAOYSA-N
SY107857
Methyl4-bromo-5-cyano-3-methylthiophene-2-carboxylate
2-Thiophenecarboxylic acid, 4-bromo-5-cyano-3-methyl-, methyl ester
FCH1361943
ST2407245
AX8209394
W7630

MDL Number

MFCD19703224

Customs Code

2934999090

FAQ

What regulatory guidelines apply to Methyl 4-bromo-5-cyano-3-methyl-2-thiophenecarboxylate (CAS: 648412-55-9)?

Methyl 4-bromo-5-cyano-3-methyl-2-thiophenecarboxylate (CAS: 648412-55-9) falls under the scope of the REACH regulation in the European Union, which requires companies to register substances above a certain tonnage threshold with the European Chemicals Agency (ECHA). Additionally, it is classified under GHS (Globally Harmonized System of Classification and Labeling of Chemicals) as a hazardous substance. In the USA, the EPA regulates this compound under the Toxic Substances Control Act (TSCA).

Are there alternatives to Methyl 4-bromo-5-cyano-3-methyl-2-thiophenecarboxylate (CAS: 648412-55-9) in synthesis?

Several alternatives can be considered as substitutes for Methyl 4-bromo-5-cyano-3-methyl-2-thiophenecarboxylate (CAS: 648412-55-9) in synthesis, including related thiophene derivatives with different functional groups. Common alternatives include methyl 4-bromo-3-cyano-2-thiophenecarboxylate and methyl 4-cyano-5-methyl-2-thiophenecarboxylate. These compounds can serve similar roles in various chemical processes.

What is the market or research trend for Methyl 4-bromo-5-cyano-3-methyl-2-thiophenecarboxylate (CAS: 648412-55-9)?

The market for Methyl 4-bromo-5-cyano-3-methyl-2-thiophenecarboxylate (CAS: 648412-55-9) is growing due to its applications in drug synthesis and as a building block for various organic materials. Research trends are focusing on its use in pharmaceuticals, where it plays a role in the development of new drugs. Additionally, there is increasing interest in its use in the synthesis of advanced materials and functional polymers.

How should waste containing Methyl 4-bromo-5-cyano-3-methyl-2-thiophenecarboxylate (CAS: 648412-55-9) be handled?

Waste containing Methyl 4-bromo-5-cyano-3-methyl-2-thiophenecarboxylate (CAS: 648412-55-9) should be collected in suitable containers and disposed of through specialized waste disposal services. The waste should be incinerated in a controlled incineration facility to ensure proper destruction. Environmental protection precautions should include the use of appropriate personal protective equipment (PPE) and adherence to local regulations for hazardous waste management. Proper documentation of waste disposal is essential to comply with regulatory requirements.